Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1814451

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1/C(=C/c2ccc(F)cc2)Oc2cc(O)cc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814451
Phase Preclinical
Structure Type MOL
InChI Key AVESZKUTVADLAH-ACAGNQJTSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

272.2
MW (Da)
2.85
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9FO4
MW 272.23
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.31

Activity Summary

IC50 3 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.95 4.95 11200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 11200.0 nM 4.95 Inhibition of HCV genotype 1b J4 N-terminal His-tagged NS5Bdelta21 polymerase ex... 21699179

Literature References

PubMed DOI Target Context # Activities
30665143 10.1016/j.ejmech.2019.01.022 Escherichia coli 6
30665143 10.1016/j.ejmech.2019.01.022 Acinetobacter baumannii 4
30665143 10.1016/j.ejmech.2019.01.022 Bacillus subtilis 4
22718431 10.1002/ps.3339 Brassica rapa subsp. oleifera 3
30665143 10.1016/j.ejmech.2019.01.022 Clostridium perfringens 3
30665143 10.1016/j.ejmech.2019.01.022 Blautia coccoides 2
30665143 10.1016/j.ejmech.2019.01.022 Citrobacter rodentium 2
30665143 10.1016/j.ejmech.2019.01.022 Citrobacter farmeri 2
30665143 10.1016/j.ejmech.2019.01.022 Bacteroides thetaiotaomicron 2
30665143 10.1016/j.ejmech.2019.01.022 Streptococcus thermophilus 2
30665143 10.1016/j.ejmech.2019.01.022 Cutibacterium acnes 2
30665143 10.1016/j.ejmech.2019.01.022 Lactococcus lactis 2
30665143 10.1016/j.ejmech.2019.01.022 Enterococcus faecalis 2
30665143 10.1016/j.ejmech.2019.01.022 Clostridioides difficile 2
21699179 10.1021/jm200242p Unchecked 2
30665143 10.1016/j.ejmech.2019.01.022 Clostridium botulinum 2
30665143 10.1016/j.ejmech.2019.01.022 Arthrobacter gandavensis 2
30665143 10.1016/j.ejmech.2019.01.022 Pseudomonas aeruginosa 2
30665143 10.1016/j.ejmech.2019.01.022 Staphylococcus aureus 2
22718431 10.1002/ps.3339 Echinochloa crus-galli 2

Data from ChEMBL 36 via Core Engine